3-(2-methyl-1,3-thiazol-5-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole

C11H14N4OS — CID 68926446

IUPAC3-(2-methyl-1,3-thiazol-5-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
SMILESCc1ncc(-c2noc([C@H]3CCCNC3)n2)s1
InChIInChI=1S/C11H14N4OS/c1-7-13-6-9(17-7)10-14-11(16-15-10)8-3-2-4-12-5-8/h6,8,12H,2-5H2,1H3/t8-/m0/s1
InChIKeyXLVDHPHGTCNAQD-QMMMGPOBSA-N
MW250.33 g/mol
LogP1.97
Rot. Bonds2

About 3-(2-methyl-1,3-thiazol-5-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole

3-(2-methyl-1,3-thiazol-5-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 68926446) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 3-(2-methyl-1,3-thiazol-5-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methyl-1,3-thiazol-5-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
PubChem CID68926446
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name3-(2-methyl-1,3-thiazol-5-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
SMILESCc1ncc(-c2noc([C@H]3CCCNC3)n2)s1
InChIInChI=1S/C11H14N4OS/c1-7-13-6-9(17-7)10-14-11(16-15-10)8-3-2-4-12-5-8/h6,8,12H,2-5H2,1H3/t8-/m0/s1
InChIKeyXLVDHPHGTCNAQD-QMMMGPOBSA-N
XLogP1.97
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(2-methyl-1,3-thiazol-5-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[(3S)-1-methylpiperidin-3-yl]-3-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole
CID 143331174
3-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 29039427
5-[(3S)-piperidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole;hydrochloride
CID 52951031
3-(2-methylpyrimidin-4-yl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 113329250
3-(5-fluoro-2-pyridinyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911952
3-(4-methyl-3-pyridinyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104982341
3-(3,5-dibromo-2-pyridinyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104912043
5-piperidin-3-yl-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride
CID 66618635
3-(4-ethylphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 43627411
3-(4-fluoro-3-methylphenyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 93350958
3-(furan-2-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 68927912
3-(5-chlorofuran-2-yl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 115080752

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,3-thiazol-5-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methyl-1,3-thiazol-5-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole (CID 68926446) is 3-(2-methyl-1,3-thiazol-5-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methyl-1,3-thiazol-5-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methyl-1,3-thiazol-5-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole is Cc1ncc(-c2noc([C@H]3CCCNC3)n2)s1.
What is the InChIKey of 3-(2-methyl-1,3-thiazol-5-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is XLVDHPHGTCNAQD-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-7-13-6-9(17-7)10-14-11(16-15-10)8-3-2-4-12-5-8/h6,8,12H,2-5H2,1H3/t8-/m0/s1.
What are the key properties of 3-(2-methyl-1,3-thiazol-5-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
3-(2-methyl-1,3-thiazol-5-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 250.33 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3-thiazol-5-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 68926446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).